CID 19760790

2-fluoropent-2-enoic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
CC/C=C(/C(=O)O)\F
InChI
InChI=1S/C5H7FO2/c1-2-3-4(6)5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3-
InChIKey
JBRQOQRPANVJKM-ARJAWSKDSA-N
Compound name
(Z)-2-fluoropent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

118.04301 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 120.9
[M+Na]+ 141.032228 128.4
[M-H]- 117.035734 118.8
[M+NH4]+ 136.076833 142.7
[M+K]+ 157.006168 127.7
[M+H-H2O]+ 101.040270 116.1
[M+HCOO]- 163.041211 141.4
[M+CH3COO]- 177.056861 167.3
[M+Na-2H]- 139.017676 125.0
[M]+ 118.04246142 118.8
[M]- 118.04355858 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe